SCHEMBL1494775

SCHEMBL1494775

COc1ccc(C(=O)Nc2cccc(-c3cn4c(C)cccc4n3)c2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.78
KDM4E B2RXH2 4/20 0.78
LMNA P02545 4/20 0.78
GAA P10253 1/20 0.78
RECQL P46063 1/20 0.78
BLM P54132 1/20 0.78
TDP1 Q9NUW8 1/20 0.78
SMN1; SMN2 Q16637 5/20 0.60
ALDH1A1 P00352 4/20 0.60
ADORA3 P0DMS8 1/20 0.58
RAB9A P51151 5/20 0.58
POLB P06746 3/20 0.58
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
TP53 P04637 4/20 0.55
NPC1 O15118 3/20 0.55

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1494756 0.84 RAB9A (0.79) MAPTKDM4ELMNATDP1SMN1; SMN2
SCHEMBL2740004 0.82 ALDH1A1 (0.80) MAPTKDM4ELMNATDP1SMN1; SMN2
SCHEMBL1494845 0.81 KDM4E (0.71) MAPTKDM4ELMNAGAARECQL
SCHEMBL1494777 0.78 TP53 (0.69) MAPTKDM4ELMNAGAARECQL
SCHEMBL1494663 0.78 ALDH1A1 (0.70) MAPTKDM4ELMNAGAARECQL
SCHEMBL7703120 0.77 HRH3 (0.62) MAPTKDM4EGAASMN1; SMN2ALDH1A1
SCHEMBL4781504 0.75 KDM4E (0.77) MAPTKDM4ELMNATDP1SMN1; SMN2
SCHEMBL23758256 0.74 ADORA3 (0.63) MAPTLMNASMN1; SMN2ALDH1A1ADORA3
SCHEMBL23758259 0.74 ADORA3 (0.69) MAPTSMN1; SMN2ALDH1A1ADORA3RAB9A
Hydrochloric Acid SCHEMBL31679087 0.73 ADORA3 (0.67) MAPTSMN1; SMN2ALDH1A1ADORA3RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110053915-A1 HETEROCYCLIC INHIBITORS OF AN Hh-SIGNAL CASCADE, MEDICINAL COMPOSITIONS BASED THEREON AND METHODS FOR TREATING DISEASES CAUSED BY THE ABERRANT ACTIVITY OF AN Hh-SIGNAL SYSTEM ALLA CHEM, LLC (US) 2011-03-03 US claimed
US-8486945-B2 Heterocyclic inhibitors of an Hh-signal cascade, medicinal compositions based thereon and methods for treating diseases caused by the aberrant activity of an Hh-signal system Ivachtchenko, Alexandre Vasilievich (US) 2013-07-16 US disclosed
US-8486945-B2 Heterocyclic inhibitors of an Hh-signal cascade, medicinal compositions based thereon and methods for treating diseases caused by the aberrant activity of an Hh-signal system Ivachtchenko, Alexandre Vasilievich (US) 2013-07-16 US disclosed
US-20110053915-A1 HETEROCYCLIC INHIBITORS OF AN Hh-SIGNAL CASCADE, MEDICINAL COMPOSITIONS BASED THEREON AND METHODS FOR TREATING DISEASES CAUSED BY THE ABERRANT ACTIVITY OF AN Hh-SIGNAL SYSTEM ALLA CHEM, LLC (US) 2011-03-03 US disclosed
US-20110053915-A1 HETEROCYCLIC INHIBITORS OF AN Hh-SIGNAL CASCADE, MEDICINAL COMPOSITIONS BASED THEREON AND METHODS FOR TREATING DISEASES CAUSED BY THE ABERRANT ACTIVITY OF AN Hh-SIGNAL SYSTEM ALLA CHEM, LLC (US) 2011-03-03 US disclosed
WO-2009077956-A2 HETEROCYCLIC INHIBITORS OF AN Hh-SIGNAL CASCADE, MEDICINAL COMPOSITIONS BASED THEREON AND METHODS FOR TREATING DISEASES CAUSED BY THE ABERRANT ACTIVITY OF AN Hh-SIGNAL SYSTEM ALLA CHEM, LLC (US) 2009-06-25 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110053915-A1 HETEROCYCLIC INHIBITORS OF AN Hh-SIGNAL CASCADE, MEDICINAL COMPOSITIONS BASED THEREON AND METHODS FOR TREATING DISEASES CAUSED BY THE ABERRANT ACTIVITY OF AN Hh-SIGNAL SYSTEM SHH, SMO, GLI1 MAPT 3985/4885KDM4E 2294/4885LMNA 4566/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.